{"id":"W2034385668","doi":"10.1021/jm800505m","title":"X-ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(Adamantan-1-yl)-2-(1<i>H</i>-imidazol-1-yl)ethanone: A Common Binding Mode for Imidazole-Based Heme Oxygenase-1 Inhibitors","year":2008,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Heme Oxygenase-1 and Carbon Monoxide","field":"Biochemistry, Genetics and Molecular Biology","cited_by":50,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Chemistry; Moiety; Heme; Stereochemistry; Imidazole; Ligand (biochemistry); Heme oxygenase; Binding site; Binding pocket; Crystal structure; Combinatorial chemistry; Crystallography; Enzyme; Receptor; Biochemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004942865,0.0005839699,0.001039332,0.0002050374,0.0001865891,0.00002138214,0.0006366605,0.0004688104,0.00009081393],"category_scores_gemma":[0.000152507,0.000493358,0.000408042,0.0003257243,0.0004321119,0.00002602243,0.00008905132,0.0006899985,4.653653e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001568884,"about_ca_system_score_gemma":0.0006968318,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005878941,"about_ca_topic_score_gemma":0.0001096678,"domain_scores_codex":[0.9962915,0.00008953857,0.001453253,0.0005357403,0.0009288937,0.0007011288],"domain_scores_gemma":[0.997308,0.00008491785,0.001165013,0.0005485703,0.000435412,0.0004580863],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001590633,0.00029565,0.006051974,0.0005003579,0.0001864931,0.00027137,0.000181124,0.001039446,0.9871463,0.000002771443,0.00267237,0.00006149321],"study_design_scores_gemma":[0.005971106,0.001108428,0.001644625,0.0005184828,0.0001242089,0.00074585,0.0007141072,0.0002559466,0.9869921,0.00002925005,0.001350042,0.0005458093],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977369,0.0007008452,0.0004245521,0.0002562275,0.0001072726,0.0003338182,0.000208692,0.0000141408,0.0002175853],"genre_scores_gemma":[0.9961478,0.00007067975,0.001999219,0.0002769703,0.0009381401,0.00001389964,0.0003715161,0.00009369422,0.00008810044],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004407349,"threshold_uncertainty_score":0.9997518,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0160945601578035,"score_gpt":0.2664886631488573,"score_spread":0.2503941029910538,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}